2-(dimethylamino)-4-[(phenylmethyl)amino]pyridine-3-carbonitrile; phosphoric acid; hydrate

Systemtic Name: 2-(dimethylamino)-4-[(phenylmethyl)amino]pyridine-3-carbonitrile; phosphoric acid; hydrate Openeye Name: 4-(benzylamino)-2-(dimethylamino)pyridine-3-carbonitrile; phosphoric acid; hydrate CAS Name: 2-(dimethylamino)-4-[(phenylmethyl)amino]-3-pyridinecarbonitrile; phosphoric acid; hydrate IUPAC Name: 4-(benzylamino)-2-(dimethylamino)pyridine-3-carbonitrile; phosphoric acid; hydrate Traditional Name: 4-(benzylamino)-2-(dimethylamino)nicotinonitrile; phosphoric acid; hydrate Formula: C15H24N4O9P2 MolecularWeight: 466.319982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1C#N)NCC2=CC=CC=C2.O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

CN(C)C1=NC=CC(=C1C#N)NCC2=CC=CC=C2.O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C15H16N4.2H3O4P.H2O/c1-19(2)15-13(10-16)14(8-9-17-15)18-11-12-6-4-3-5-7-12;2*1-5(2,3)4;/h3-9H,11H2,1-2H3,(H,17,18);2*(H3,1,2,3,4);1H2